[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl N,N'-dimethylcarbamimidothioate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl N,N'-dimethylcarbamimidothioate Openeye Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,3-dimethyl-isothiourea CAS Name: N,N'-dimethylcarbamimidothioic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl N,N'-dimethylcarbamimidothioate Traditional Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,3-dimethyl-isothiourea Formula: C18H19FN2O2S MolecularWeight: 346.419063

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)SCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3

Isomeric SMILES

CNC(=NC)SCC1=C2C(=CC(=C1)F)CO[C@@H](O2)C3=CC=CC=C3

InChI

InChI=1S/C18H19FN2O2S/c1-20-18(21-2)24-11-14-9-15(19)8-13-10-22-17(23-16(13)14)12-6-4-3-5-7-12/h3-9,17H,10-11H2,1-2H3,(H,20,21)/t17-/m0/s1